#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2diq s SER 2 N 0.00 6.26 0.00 1.61 0.15 -1.26 -4.94 113.70 115.52 2diq s SER 2 Ca 0.00 3.02 -0.25 0.00 0.70 0.00 0.00 55.95 59.42 2diq s SER 2 Cb 0.00 -2.67 -0.18 0.00 -1.71 0.00 0.00 66.02 61.47 2diq s SER 2 CO 0.00 -0.93 1.27 0.28 1.20 0.00 0.00 173.24 175.07 2diq h SER 3 N 2.88 -0.16 0.00 5.45 0.02 -2.08 -3.47 113.55 116.19 2diq h SER 3 Ca -0.51 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 2diq h SER 3 Cb 1.24 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2diq h SER 3 CO 0.64 0.23 0.00 0.61 -1.14 0.00 0.00 176.83 177.16 2diq n GLY 4 N -0.11 1.62 2.66 -3.77 0.00 -1.26 -5.13 105.19 99.21 2diq n GLY 4 Ca -0.09 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 2diq n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2diq s SER 5 N 1.00 1.73 -1.05 1.61 0.01 -1.26 -5.08 113.70 110.66 2diq s SER 5 Ca 0.00 -0.27 -0.10 0.00 1.31 0.00 0.00 55.95 56.89 2diq s SER 5 Cb 0.00 -0.11 0.26 0.00 0.21 0.00 0.00 66.02 66.38 2diq s SER 5 CO 0.00 -0.31 1.04 -0.94 0.41 0.00 0.00 173.24 173.45 2diq s SER 6 N 2.18 7.20 0.00 2.44 1.04 -1.26 -4.96 113.70 120.34 2diq s SER 6 Ca 0.03 -3.40 0.00 0.00 0.48 0.00 0.00 55.95 53.07 2diq s SER 6 Cb -0.14 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.76 2diq s SER 6 CO -0.07 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.41 2diq n GLY 7 N 2.99 1.77 3.32 7.32 0.00 -1.26 -4.88 105.19 114.44 2diq n GLY 7 Ca 0.22 -0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.78 2diq n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2diq s ARG 8 N 0.00 3.04 0.81 1.61 6.06 -1.26 -5.04 118.95 124.16 2diq s ARG 8 Ca 0.00 -1.75 -0.12 0.00 -2.50 0.00 0.00 55.73 51.36 2diq s ARG 8 Cb 0.00 -4.31 0.08 0.00 0.06 0.00 0.00 34.95 30.78 2diq s ARG 8 CO 0.00 -1.34 1.15 0.45 -2.50 0.00 0.00 175.30 173.06 2diq s SER 9 N 3.49 3.83 0.03 -2.12 0.15 -1.26 -4.75 113.70 113.07 2diq s SER 9 Ca 0.05 2.13 -0.26 0.00 0.70 0.00 0.00 55.95 58.57 2diq s SER 9 Cb -0.28 -2.56 -0.14 0.00 -1.71 0.00 0.00 66.02 61.32 2diq s SER 9 CO 0.02 -2.50 1.24 -0.07 1.20 0.00 0.00 173.24 173.14 2diq h LEU 10 N -1.10 -0.80 -2.10 3.45 3.38 -1.99 0.21 115.31 116.35 2diq h LEU 10 Ca -0.45 0.03 0.08 0.00 0.09 0.00 0.00 57.88 57.63 2diq h LEU 10 Cb 1.27 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.21 2diq h LEU 10 CO 0.47 -0.51 0.25 1.56 0.09 0.00 0.00 178.44 180.30 2diq h GLN 11 N -1.06 0.00 0.20 1.13 1.08 -2.00 -2.34 115.11 112.11 2diq h GLN 11 Ca -0.10 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 2diq h GLN 11 Cb 0.72 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 2diq h GLN 11 CO 0.16 0.00 -0.10 1.25 -0.95 0.00 0.00 178.83 179.19 2diq h LEU 12 N 0.00 -0.23 -0.89 1.46 5.85 -1.88 -2.86 115.31 116.76 2diq h LEU 12 Ca 0.14 0.01 0.22 0.00 0.84 0.00 0.00 57.88 59.09 2diq h LEU 12 Cb 0.63 0.06 -0.16 0.00 0.37 0.00 0.00 40.66 41.56 2diq h LEU 12 CO -0.00 0.15 0.02 -0.78 -0.34 0.00 0.00 178.44 177.48 2diq h ASP 13 N -0.89 -0.42 -0.76 1.25 1.82 -0.33 0.83 116.42 117.93 2diq h ASP 13 Ca -0.03 0.24 -0.02 0.00 -0.39 0.00 0.00 57.03 56.84 2diq h ASP 13 Cb 0.20 0.42 -0.04 0.00 0.68 0.00 0.00 39.33 40.60 2diq h ASP 13 CO 0.04 -0.27 0.41 0.50 -1.61 0.00 0.00 179.24 178.32 2diq h LYS 14 N 0.06 1.08 -0.12 0.28 3.11 -1.54 -2.10 116.57 117.35 2diq h LYS 14 Ca 0.51 -0.12 -0.11 0.00 -2.81 0.00 0.00 60.65 58.12 2diq h LYS 14 Cb 0.99 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.99 2diq h LYS 14 CO -0.81 0.79 -0.42 1.25 -2.81 0.00 0.00 179.45 177.46 2diq h LEU 15 N 1.08 0.28 -0.63 5.20 5.85 0.80 -2.77 115.31 125.12 2diq h LEU 15 Ca 0.27 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 2diq h LEU 15 Cb 0.04 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2diq h LEU 15 CO -0.04 0.67 0.16 0.58 -0.34 0.00 0.00 178.44 179.47 2diq h VAL 16 N 0.22 1.25 0.15 1.05 2.07 -0.15 -2.57 116.25 118.27 2diq h VAL 16 Ca 0.02 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 2diq h VAL 16 Cb 0.83 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2diq h VAL 16 CO 0.07 0.34 -0.07 -1.13 0.02 0.00 0.00 177.57 176.80 2diq h ASN 17 N 0.92 -0.18 -0.25 0.57 -0.73 -1.35 -2.40 115.58 112.16 2diq h ASN 17 Ca 0.20 -0.20 0.06 0.00 1.87 0.00 0.00 56.30 58.22 2diq h ASN 17 Cb 0.35 0.05 -0.08 0.00 0.27 0.00 0.00 38.32 38.90 2diq h ASN 17 CO 0.00 0.11 -0.41 -0.33 -0.37 0.00 0.00 177.43 176.43 2diq h GLU 18 N -0.47 -0.39 0.06 6.67 4.39 -1.46 -0.36 114.58 123.01 2diq h GLU 18 Ca -0.02 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2diq h GLU 18 Cb 0.37 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 2diq h GLU 18 CO 0.03 -0.26 -0.11 0.52 -1.16 0.00 0.00 179.01 178.03 2diq h MET 19 N -0.41 -0.18 0.00 2.33 2.86 -1.49 -2.29 114.93 115.76 2diq h MET 19 Ca 0.11 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2diq h MET 19 Cb 0.60 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.30 2diq h MET 19 CO -0.47 -0.12 0.00 2.41 1.06 0.00 0.00 176.91 179.79 2diq n THR 20 N -3.05 0.00 -0.24 2.22 -1.04 -0.91 0.07 114.28 111.34 2diq n THR 20 Ca -0.02 1.46 0.10 0.00 -2.04 0.00 0.00 64.05 63.55 2diq n THR 20 Cb 0.09 -2.01 0.20 0.00 -1.82 0.00 0.00 70.33 66.80 2diq n THR 20 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2diq n GLN 21 N -2.76 -0.05 0.11 -2.82 6.02 -0.16 0.23 117.38 117.94 2diq n GLN 21 Ca 0.00 1.03 -0.05 0.00 -0.01 0.00 0.00 57.00 57.97 2diq n GLN 21 Cb 0.00 -1.63 -0.02 0.00 1.02 0.00 0.00 30.24 29.61 2diq n GLN 21 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2diq h HIS 22 N 0.00 -0.28 0.82 1.08 2.76 -0.25 -3.21 115.15 116.06 2diq h HIS 22 Ca 0.41 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.54 2diq h HIS 22 Cb 0.84 0.09 0.01 0.00 1.55 0.00 0.00 27.41 29.90 2diq h HIS 22 CO -0.36 -0.17 -0.42 1.88 -1.30 0.00 0.00 177.93 177.56 2diq h TYR 23 N -0.53 -1.10 -0.75 5.26 0.05 0.18 -2.65 116.97 117.43 2diq h TYR 23 Ca -0.03 -0.02 0.28 0.00 0.05 0.00 0.00 58.73 59.01 2diq h TYR 23 Cb 0.23 0.37 -0.10 0.00 1.01 0.00 0.00 36.73 38.24 2diq h TYR 23 CO 0.06 -0.66 0.45 -0.85 -1.05 0.00 0.00 178.16 176.11 2diq n GLU 24 N -5.13 -0.03 -2.70 4.88 0.28 0.63 0.14 120.64 118.71 2diq n GLU 24 Ca -0.14 0.82 -0.31 0.00 -0.16 0.00 0.00 57.16 57.37 2diq n GLU 24 Cb 0.45 -1.55 -0.01 0.00 1.43 0.00 0.00 31.44 31.76 2diq n GLU 24 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2diq n ASN 25 N -4.17 5.41 -2.82 -1.84 5.03 -1.01 -5.01 115.26 110.85 2diq n ASN 25 Ca 0.25 -3.71 -0.14 0.00 0.87 0.00 0.00 54.58 51.85 2diq n ASN 25 Cb 0.90 -0.72 -0.04 0.00 -1.02 0.00 0.00 39.78 38.90 2diq n ASN 25 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2diq n SER 26 N -0.28 -1.04 -4.84 6.41 3.41 0.36 -4.92 113.62 112.73 2diq n SER 26 Ca 0.38 -2.75 -0.28 0.00 -0.26 0.00 0.00 58.87 55.96 2diq n SER 26 Cb 0.40 2.03 -0.05 0.00 -0.26 0.00 0.00 64.21 66.33 2diq n SER 26 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2diq s VAL 27 N -2.89 4.79 -0.21 -3.33 -7.23 -1.26 -5.04 120.40 105.23 2diq s VAL 27 Ca 0.28 -0.80 -0.29 0.00 -1.81 0.00 0.00 61.98 59.36 2diq s VAL 27 Cb -0.00 -3.39 -0.03 0.00 0.56 0.00 0.00 36.38 33.52 2diq s VAL 27 CO 0.20 0.01 1.60 -2.16 -0.31 0.00 0.00 175.10 174.45 2diq s PRO 28 N -2.80 3.82 -0.07 4.82 0.04 -1.26 -4.99 135.00 134.56 2diq s PRO 28 Ca 0.32 1.68 -0.21 0.00 0.04 0.00 0.00 61.00 62.82 2diq s PRO 28 Cb -0.11 -4.02 -0.04 0.00 0.04 0.00 0.00 34.50 30.36 2diq s PRO 28 CO 0.25 -1.26 0.61 -1.21 0.04 0.00 0.00 177.00 175.43 2diq s GLU 29 N 4.61 4.39 -0.86 4.56 0.41 -1.26 -5.01 118.70 125.54 2diq s GLU 29 Ca 0.71 0.72 -0.21 0.00 -0.41 0.00 0.00 54.97 55.78 2diq s GLU 29 Cb -0.25 -3.42 0.10 0.00 -1.78 0.00 0.00 34.13 28.77 2diq s GLU 29 CO 0.29 0.15 1.13 -0.51 -0.49 0.00 0.00 175.26 175.84 2diq s ASP 30 N 0.55 6.46 0.09 -0.19 1.01 -1.26 -4.78 116.67 118.54 2diq s ASP 30 Ca 0.33 -1.58 0.10 0.00 0.71 0.00 0.00 52.55 52.10 2diq s ASP 30 Cb -0.17 -2.44 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 2diq s ASP 30 CO 0.16 -1.27 -0.26 -1.48 0.21 0.00 0.00 175.17 172.52 2diq s LEU 31 N 3.56 2.25 -0.48 1.23 2.34 -1.26 -5.10 118.68 121.22 2diq s LEU 31 Ca 0.32 -0.67 -0.25 0.00 0.06 0.00 0.00 54.13 53.58 2diq s LEU 31 Cb -0.08 -1.22 0.03 0.00 -0.56 0.00 0.00 46.19 44.36 2diq s LEU 31 CO -0.03 0.21 0.94 -0.89 -1.06 0.00 0.00 176.35 175.52 2diq s THR 32 N -0.94 4.44 0.07 5.48 2.01 -1.26 -5.03 115.64 120.41 2diq s THR 32 Ca 0.12 0.69 0.08 0.00 0.31 0.00 0.00 61.69 62.90 2diq s THR 32 Cb -0.10 -4.46 -0.03 0.00 0.01 0.00 0.00 72.50 67.92 2diq s THR 32 CO 0.04 -0.89 -0.21 0.54 -0.69 0.00 0.00 174.62 173.40 2diq s VAL 33 N 3.83 2.55 0.03 3.82 0.11 -1.26 -5.13 120.40 124.35 2diq s VAL 33 Ca 0.36 -1.37 0.01 0.00 -2.93 0.00 0.00 61.98 58.06 2diq s VAL 33 Cb -0.10 -2.08 -0.02 0.00 -1.53 0.00 0.00 36.38 32.65 2diq s VAL 33 CO 0.26 0.27 -0.05 -1.00 -3.33 0.00 0.00 175.10 171.25 2diq s HIS 34 N -0.95 0.41 -0.50 1.54 3.76 -1.26 -5.06 115.29 113.23 2diq s HIS 34 Ca 0.14 -0.51 -0.39 0.00 -0.15 0.00 0.00 55.06 54.16 2diq s HIS 34 Cb -0.10 -0.27 -0.18 0.00 1.11 0.00 0.00 32.58 33.14 2diq s HIS 34 CO 0.05 -0.15 2.00 1.55 -0.85 0.00 0.00 174.74 177.35 2diq n VAL 35 N 1.58 0.00 0.00 -0.90 3.14 -1.26 -1.07 118.33 119.82 2diq n VAL 35 Ca -0.23 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.15 2diq n VAL 35 Cb 0.55 -0.46 0.00 0.00 -1.06 0.00 0.00 33.84 32.87 2diq n VAL 35 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2diq n GLY 36 N 6.73 1.23 3.86 7.55 0.00 0.92 -4.91 105.19 120.57 2diq n GLY 36 Ca 0.51 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.22 2diq n GLY 36 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2diq s ASP 37 N -0.60 6.25 -0.12 1.61 1.11 -0.23 -4.82 116.67 119.87 2diq s ASP 37 Ca 0.00 1.47 -0.02 0.00 0.18 0.00 0.00 52.55 54.18 2diq s ASP 37 Cb 0.00 -2.48 -0.03 0.00 1.07 0.00 0.00 42.92 41.48 2diq s ASP 37 CO 0.00 -0.85 -0.04 -0.63 1.18 0.00 0.00 175.17 174.83 2diq s ILE 38 N -3.04 3.88 0.34 0.77 -1.09 -1.26 -2.24 121.20 118.56 2diq s ILE 38 Ca 0.56 -0.39 -0.11 0.00 -2.23 0.00 0.00 60.65 58.48 2diq s ILE 38 Cb -0.11 -2.65 0.03 0.00 -1.58 0.00 0.00 42.46 38.15 2diq s ILE 38 CO 0.49 0.55 0.63 0.68 -1.23 0.00 0.00 174.94 176.05 2diq s VAL 39 N -0.22 0.00 0.06 2.92 -7.23 -1.13 -4.38 120.40 110.41 2diq s VAL 39 Ca 0.04 -1.27 0.03 0.00 -1.81 0.00 0.00 61.98 58.96 2diq s VAL 39 Cb -0.13 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 2diq s VAL 39 CO 0.02 0.00 0.06 0.00 -0.31 0.00 0.00 175.10 174.87 2diq s ALA 40 N -2.94 3.49 -0.16 1.32 0.00 0.47 -2.10 121.76 121.84 2diq s ALA 40 Ca 0.21 -1.00 -0.17 0.00 0.00 0.00 0.00 51.96 51.01 2diq s ALA 40 Cb -0.03 -1.41 0.05 0.00 0.00 0.00 0.00 23.12 21.73 2diq s ALA 40 CO 0.14 0.72 0.47 0.00 0.00 0.00 0.00 175.76 177.09 2diq s ALA 41 N -1.31 -1.16 1.01 0.00 0.00 -1.21 -1.28 121.76 117.81 2diq s ALA 41 Ca 0.26 1.26 -0.12 0.00 0.00 0.00 0.00 51.96 53.36 2diq s ALA 41 Cb -0.12 -0.69 0.19 0.00 0.00 0.00 0.00 23.12 22.50 2diq s ALA 41 CO 0.19 -0.23 1.09 -1.25 0.00 0.00 0.00 175.76 175.56 2diq s PRO 42 N 0.09 0.36 -0.21 0.00 0.04 -1.26 -0.52 135.00 133.51 2diq s PRO 42 Ca -0.01 0.50 -0.00 0.00 0.04 0.00 0.00 61.00 61.53 2diq s PRO 42 Cb -0.03 -1.73 0.02 0.00 0.04 0.00 0.00 34.50 32.80 2diq s PRO 42 CO 0.01 -2.78 -0.14 -1.17 0.04 0.00 0.00 177.00 172.97 2diq s LEU 43 N -6.48 2.62 0.00 -3.56 2.96 0.99 -4.80 118.68 110.41 2diq s LEU 43 Ca 0.65 -0.75 0.11 0.00 -0.22 0.00 0.00 54.13 53.93 2diq s LEU 43 Cb -0.19 -1.56 0.67 0.00 0.50 0.00 0.00 46.19 45.61 2diq s LEU 43 CO 0.58 -0.05 1.11 -0.81 -1.32 0.00 0.00 176.35 175.85 2diq n PRO 44 N 4.63 0.49 -0.14 0.98 -0.04 -1.26 0.19 135.00 139.85 2diq n PRO 44 Ca -0.19 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.98 2diq n PRO 44 Cb 0.49 -1.36 -0.10 0.00 -0.04 0.00 0.00 33.50 32.49 2diq n PRO 44 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2diq n THR 45 N -0.86 1.53 -0.01 0.52 -2.24 -1.26 -4.76 114.28 107.20 2diq n THR 45 Ca 0.08 -0.36 0.03 0.00 -2.27 0.00 0.00 64.05 61.53 2diq n THR 45 Cb 0.04 -1.91 -0.06 0.00 -2.10 0.00 0.00 70.33 66.31 2diq n THR 45 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2diq n ASN 46 N -4.26 3.33 -1.18 3.42 6.94 -1.17 -5.05 115.26 117.28 2diq n ASN 46 Ca -0.53 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.03 2diq n ASN 46 Cb 0.87 1.25 0.00 0.00 -2.36 0.00 0.00 39.78 39.54 2diq n ASN 46 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2diq n GLY 47 N 2.15 0.81 3.16 4.83 0.00 0.49 -5.00 105.19 111.63 2diq n GLY 47 Ca -0.03 -0.37 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 2diq n GLY 47 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2diq s SER 48 N -2.82 -0.14 0.07 1.61 0.01 -1.24 -4.76 113.70 106.43 2diq s SER 48 Ca 0.00 0.12 -0.29 0.00 1.31 0.00 0.00 55.95 57.08 2diq s SER 48 Cb 0.00 0.34 -0.05 0.00 0.21 0.00 0.00 66.02 66.52 2diq s SER 48 CO 0.00 -0.31 0.94 0.26 0.41 0.00 0.00 173.24 174.55 2diq s TRP 49 N -0.88 3.76 -0.02 2.43 0.52 -1.26 -0.00 118.94 123.49 2diq s TRP 49 Ca -0.10 1.73 0.01 0.00 0.02 0.00 0.00 56.10 57.76 2diq s TRP 49 Cb -0.05 -3.05 0.01 0.00 -1.15 0.00 0.00 33.47 29.24 2diq s TRP 49 CO 0.02 0.15 -0.01 0.71 0.02 0.00 0.00 176.95 177.84 2diq s TYR 50 N 0.28 0.24 -0.01 -1.98 2.02 0.32 -4.63 117.35 113.59 2diq s TYR 50 Ca 0.47 -0.01 -0.34 0.00 -0.37 0.00 0.00 57.07 56.83 2diq s TYR 50 Cb -0.22 -0.26 -0.12 0.00 -0.40 0.00 0.00 41.96 40.95 2diq s TYR 50 CO 0.28 -0.07 1.80 0.54 -1.57 0.00 0.00 175.55 176.54 2diq n ARG 51 N 3.62 2.20 -4.23 -0.62 1.74 -1.26 -3.33 116.66 114.78 2diq n ARG 51 Ca -0.20 0.80 -0.13 0.00 -0.77 0.00 0.00 57.85 57.55 2diq n ARG 51 Cb 0.54 -2.63 -0.10 0.00 -1.02 0.00 0.00 32.46 29.25 2diq n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2diq s ALA 52 N 3.20 1.29 -0.19 7.54 0.00 -0.89 -2.60 121.76 130.11 2diq s ALA 52 Ca 0.89 -1.51 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 2diq s ALA 52 Cb -0.68 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.76 2diq s ALA 52 CO 0.47 -0.25 -0.08 0.50 0.00 0.00 0.00 175.76 176.41 2diq s ARG 53 N -3.85 3.38 0.18 0.00 3.52 0.14 -2.86 118.95 119.46 2diq s ARG 53 Ca 0.19 -0.65 -0.32 0.00 -0.13 0.00 0.00 55.73 54.83 2diq s ARG 53 Cb 0.05 -2.86 -0.11 0.00 -1.56 0.00 0.00 34.95 30.47 2diq s ARG 53 CO 0.01 -0.04 1.63 0.08 -0.81 0.00 0.00 175.30 176.17 2diq s VAL 54 N 1.05 2.40 -0.30 7.11 1.01 -0.95 0.15 120.40 130.87 2diq s VAL 54 Ca 0.00 0.28 0.09 0.00 0.00 0.00 0.00 61.98 62.35 2diq s VAL 54 Cb -0.15 -3.18 -0.12 0.00 0.00 0.00 0.00 36.38 32.94 2diq s VAL 54 CO -0.01 0.02 0.33 0.18 0.00 0.00 0.00 175.10 175.62 2diq n LEU 55 N 4.02 0.29 0.00 3.92 4.77 0.25 -0.06 117.00 130.19 2diq n LEU 55 Ca 0.15 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 2diq n LEU 55 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2diq n LEU 55 CO 0.62 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 2diq n GLY 56 N 1.47 0.18 3.01 -0.72 0.00 -1.25 -4.68 105.19 103.20 2diq n GLY 56 Ca 0.01 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 2diq n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2diq s THR 57 N 0.00 0.07 0.47 2.61 2.01 -1.26 -3.67 115.64 115.87 2diq s THR 57 Ca 0.00 -0.60 -0.04 0.00 0.31 0.00 0.00 61.69 61.35 2diq s THR 57 Cb 0.00 -0.28 0.10 0.00 0.01 0.00 0.00 72.50 72.33 2diq s THR 57 CO 0.00 -0.33 0.64 0.18 -0.69 0.00 0.00 174.62 174.42 2diq n LEU 58 N 1.93 0.00 0.13 4.42 4.77 0.68 -4.75 117.00 124.18 2diq n LEU 58 Ca -0.21 -0.98 0.12 0.00 -0.03 0.00 0.00 56.01 54.91 2diq n LEU 58 Cb 0.56 -0.45 0.24 0.00 -2.33 0.00 0.00 43.42 41.44 2diq n LEU 58 CO 0.21 -0.89 0.65 -0.08 -1.33 0.00 0.00 177.39 175.96 2diq h GLU 59 N 0.00 0.00 0.00 3.23 4.57 -2.03 -3.28 114.58 117.08 2diq h GLU 59 Ca -0.21 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 57.74 2diq h GLU 59 Cb 0.66 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.21 2diq h GLU 59 CO 0.18 0.00 -1.81 0.27 -1.18 0.00 0.00 179.01 176.47 2diq n ASN 60 N -2.55 0.52 0.00 1.04 6.94 -1.26 -5.01 115.26 114.94 2diq n ASN 60 Ca 0.04 0.24 0.00 0.00 -0.02 0.00 0.00 54.58 54.84 2diq n ASN 60 Cb 0.48 0.56 0.00 0.00 -2.36 0.00 0.00 39.78 38.46 2diq n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2diq n GLY 61 N 1.51 4.31 3.18 4.83 0.00 -1.24 -5.13 105.19 112.66 2diq n GLY 61 Ca -0.17 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 44.75 2diq n GLY 61 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2diq n ASN 62 N 0.00 -2.59 -4.56 1.61 4.13 -1.26 -4.29 115.26 108.30 2diq n ASN 62 Ca 0.00 -0.10 -0.34 0.00 1.68 0.00 0.00 54.58 55.82 2diq n ASN 62 Cb 0.00 -0.80 -0.11 0.00 -1.54 0.00 0.00 39.78 37.33 2diq n ASN 62 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2diq s LEU 63 N 1.82 3.51 -0.60 3.41 1.43 -0.79 -0.23 118.68 127.23 2diq s LEU 63 Ca 0.49 -0.03 -0.27 0.00 -1.03 0.00 0.00 54.13 53.28 2diq s LEU 63 Cb -0.04 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.31 2diq s LEU 63 CO 0.65 0.17 1.66 -0.62 0.23 0.00 0.00 176.35 178.44 2diq s ASP 64 N 0.38 5.65 0.18 2.29 -1.08 -1.24 -3.18 116.67 119.67 2diq s ASP 64 Ca -0.01 0.27 -0.05 0.00 -0.52 0.00 0.00 52.55 52.24 2diq s ASP 64 Cb -0.13 -2.54 -0.06 0.00 -1.46 0.00 0.00 42.92 38.73 2diq s ASP 64 CO 0.02 -2.09 0.42 -0.76 0.52 0.00 0.00 175.17 173.27 2diq s LEU 65 N 7.70 4.23 -0.32 -1.34 1.43 -0.81 0.85 118.68 130.42 2diq s LEU 65 Ca 0.59 0.62 0.01 0.00 -1.03 0.00 0.00 54.13 54.32 2diq s LEU 65 Cb -0.12 -3.36 0.08 0.00 0.03 0.00 0.00 46.19 42.81 2diq s LEU 65 CO 0.22 -0.00 0.01 -0.47 0.23 0.00 0.00 176.35 176.34 2diq s TYR 66 N -1.75 3.46 -0.32 0.29 5.04 0.39 -0.08 117.35 124.38 2diq s TYR 66 Ca 0.42 -2.41 -0.30 0.00 -2.44 0.00 0.00 57.07 52.34 2diq s TYR 66 Cb -0.12 -2.46 -0.07 0.00 0.35 0.00 0.00 41.96 39.66 2diq s TYR 66 CO 0.25 -0.89 2.26 1.19 -1.34 0.00 0.00 175.55 177.02 2diq n PHE 67 N 4.46 1.75 0.09 4.97 3.01 0.23 0.27 117.46 132.24 2diq n PHE 67 Ca -0.07 0.02 -0.20 0.00 1.01 0.00 0.00 57.45 58.22 2diq n PHE 67 Cb 0.42 -2.66 -0.12 0.00 -0.01 0.00 0.00 39.48 37.12 2diq n PHE 67 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 2diq h VAL 68 N 7.26 1.34 -0.50 -4.37 -1.51 -1.68 1.26 116.25 118.04 2diq h VAL 68 Ca -0.34 -2.56 -0.08 0.00 -1.23 0.00 0.00 66.70 62.49 2diq h VAL 68 Cb 1.27 2.70 -0.02 0.00 -2.13 0.00 0.00 31.29 33.10 2diq h VAL 68 CO 1.02 0.77 0.00 0.44 -1.23 0.00 0.00 177.57 178.57 2diq h ASP 69 N 0.23 0.81 0.00 4.19 3.32 -1.75 1.89 116.42 125.11 2diq h ASP 69 Ca -0.16 -0.20 -0.14 0.00 0.02 0.00 0.00 57.03 56.55 2diq h ASP 69 Cb 1.88 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 41.19 2diq h ASP 69 CO 0.22 0.87 -1.42 0.49 -1.72 0.00 0.00 179.24 177.68 2diq n PHE 70 N -4.21 0.00 0.00 4.55 3.01 -1.24 -3.75 117.46 115.83 2diq n PHE 70 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 2diq n PHE 70 Cb 0.31 -0.62 0.00 0.00 -0.01 0.00 0.00 39.48 39.16 2diq n PHE 70 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2diq n GLY 71 N 1.49 0.83 2.50 1.37 0.00 0.43 -4.71 105.19 107.11 2diq n GLY 71 Ca -0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 2diq n GLY 71 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2diq n ASP 72 N 0.00 -3.03 -4.30 1.61 2.03 -1.24 -4.52 116.55 107.11 2diq n ASP 72 Ca 0.00 -0.79 -0.30 0.00 0.52 0.00 0.00 54.79 54.22 2diq n ASP 72 Cb 0.00 -0.76 -0.16 0.00 -0.72 0.00 0.00 41.12 39.48 2diq n ASP 72 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2diq s ASN 73 N -3.16 2.95 0.03 1.67 -0.87 -1.26 -0.60 114.94 113.70 2diq s ASN 73 Ca 0.52 -0.46 0.00 0.00 -1.57 0.00 0.00 52.86 51.35 2diq s ASN 73 Cb -0.08 -0.33 -0.00 0.00 -0.02 0.00 0.00 41.25 40.83 2diq s ASN 73 CO 0.42 0.31 0.00 0.61 -2.57 0.00 0.00 177.10 175.87 2diq n GLY 74 N 2.43 4.12 3.64 0.66 0.00 0.89 -4.92 105.19 112.01 2diq n GLY 74 Ca -0.16 -2.13 -0.08 0.00 0.00 0.00 0.00 46.02 43.65 2diq n GLY 74 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2diq s ASP 75 N -1.19 -0.69 -0.13 1.61 -4.77 -1.26 -1.93 116.67 108.31 2diq s ASP 75 Ca 0.00 1.19 -0.30 0.00 -3.30 0.00 0.00 52.55 50.15 2diq s ASP 75 Cb 0.00 1.25 0.12 0.00 -1.09 0.00 0.00 42.92 43.20 2diq s ASP 75 CO 0.00 -0.20 0.94 0.00 0.70 0.00 0.00 175.17 176.62 2diq s PRO 77 N -1.39 4.08 0.34 0.00 0.04 -1.26 -1.88 135.00 134.93 2diq s PRO 77 Ca -0.02 1.90 0.15 0.00 0.04 0.00 0.00 61.00 63.07 2diq s PRO 77 Cb -0.00 -2.73 1.13 0.00 0.04 0.00 0.00 34.50 32.93 2diq s PRO 77 CO 0.01 -0.31 1.63 1.25 0.04 0.00 0.00 177.00 179.61 2diq h LEU 78 N 2.73 0.33 -1.21 -3.56 6.46 -1.94 1.11 115.31 119.22 2diq h LEU 78 Ca -0.49 0.22 0.07 0.00 -0.12 0.00 0.00 57.88 57.56 2diq h LEU 78 Cb 1.23 0.22 -0.06 0.00 -0.73 0.00 0.00 40.66 41.33 2diq h LEU 78 CO 0.63 -0.26 0.56 0.07 -0.62 0.00 0.00 178.44 178.81 2diq h LYS 79 N 0.18 0.92 -0.64 1.25 5.09 -1.91 0.13 116.57 121.58 2diq h LYS 79 Ca 0.75 -0.06 0.00 0.00 0.09 0.00 0.00 60.65 61.44 2diq h LYS 79 Cb 1.80 -0.21 0.00 0.00 0.10 0.00 0.00 32.23 33.92 2diq h LYS 79 CO -0.69 0.61 0.00 -0.25 -2.09 0.00 0.00 179.45 177.03 2diq n ASP 80 N -4.49 1.83 -4.55 7.07 8.00 0.38 -4.43 116.55 120.36 2diq n ASP 80 Ca 0.13 -2.16 -0.30 0.00 0.71 0.00 0.00 54.79 53.17 2diq n ASP 80 Cb 0.22 -0.40 -0.10 0.00 -0.02 0.00 0.00 41.12 40.81 2diq n ASP 80 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2diq s LEU 81 N -0.83 2.95 -0.03 0.64 1.43 0.45 -4.00 118.68 119.30 2diq s LEU 81 Ca 0.14 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.86 2diq s LEU 81 Cb 0.10 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.56 2diq s LEU 81 CO 0.06 0.19 -0.10 -0.13 0.23 0.00 0.00 176.35 176.60 2diq s ARG 82 N -2.09 1.05 -0.41 1.70 1.81 -0.41 -4.27 118.95 116.34 2diq s ARG 82 Ca 0.20 -0.35 -0.27 0.00 -1.72 0.00 0.00 55.73 53.59 2diq s ARG 82 Cb -0.11 -0.97 -0.04 0.00 -0.45 0.00 0.00 34.95 33.38 2diq s ARG 82 CO 0.12 0.14 2.08 0.00 -0.68 0.00 0.00 175.30 176.96 2diq s ALA 83 N 0.15 2.34 -0.08 2.13 0.00 -1.26 -0.40 121.76 124.64 2diq s ALA 83 Ca -0.03 0.12 -0.35 0.00 0.00 0.00 0.00 51.96 51.70 2diq s ALA 83 Cb -0.09 -4.18 -0.13 0.00 0.00 0.00 0.00 23.12 18.72 2diq s ALA 83 CO 0.01 -3.46 1.79 -0.11 0.00 0.00 0.00 175.76 173.99 2diq n LEU 84 N 12.73 3.15 -4.73 0.00 7.94 -1.26 -4.89 117.00 129.94 2diq n LEU 84 Ca 0.28 1.01 -0.29 0.00 -1.11 0.00 0.00 56.01 55.90 2diq n LEU 84 Cb 0.50 -1.33 0.17 0.00 0.53 0.00 0.00 43.42 43.29 2diq n LEU 84 CO 0.69 -0.19 0.69 -0.13 -1.11 0.00 0.00 177.39 177.34 2diq s ARG 85 N 3.38 0.39 0.35 1.96 0.52 -1.26 -4.91 118.95 119.37 2diq s ARG 85 Ca 0.91 0.21 0.12 0.00 -0.52 0.00 0.00 55.73 56.46 2diq s ARG 85 Cb -0.76 -1.76 0.63 0.00 0.52 0.00 0.00 34.95 33.58 2diq s ARG 85 CO 0.52 -2.69 1.77 0.77 0.02 0.00 0.00 175.30 175.68 2diq h SER 86 N -1.85 0.00 -0.61 0.23 0.02 -1.98 -2.80 113.55 106.55 2diq h SER 86 Ca -0.50 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.37 2diq h SER 86 Cb 1.32 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.83 2diq h SER 86 CO 0.53 0.44 0.08 -0.78 -1.14 0.00 0.00 176.83 175.96 2diq h ASP 87 N 0.00 1.00 1.19 3.07 3.58 -2.01 -1.76 116.42 121.49 2diq h ASP 87 Ca -0.00 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.15 2diq h ASP 87 Cb 0.78 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.56 2diq h ASP 87 CO 0.06 1.02 -0.10 -0.26 -2.88 0.00 0.00 179.24 177.07 2diq h PHE 88 N 0.94 0.00 0.00 0.28 0.04 -1.89 -2.68 116.94 113.63 2diq h PHE 88 Ca 0.18 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.95 2diq h PHE 88 Cb 0.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.61 2diq h PHE 88 CO 0.03 0.10 -0.45 1.28 -0.60 0.00 0.00 178.31 178.68 2diq n LEU 89 N -3.20 0.46 -0.01 1.54 4.77 -0.95 -3.96 117.00 115.65 2diq n LEU 89 Ca 0.01 0.12 0.23 0.00 -0.03 0.00 0.00 56.01 56.34 2diq n LEU 89 Cb 0.41 -0.28 0.72 0.00 -2.33 0.00 0.00 43.42 41.95 2diq n LEU 89 CO 0.31 0.07 1.21 -1.28 -1.33 0.00 0.00 177.39 176.37 2diq h SER 90 N 0.00 0.00 -3.22 -1.43 0.87 -0.97 -3.39 113.55 105.41 2diq h SER 90 Ca 0.00 0.00 -0.58 0.00 -1.23 0.00 0.00 61.79 59.98 2diq h SER 90 Cb 0.55 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.44 2diq h SER 90 CO 0.00 0.00 -0.12 -0.22 -0.53 0.00 0.00 176.83 175.96 2diq s LEU 91 N -8.02 4.40 0.68 2.23 0.20 -1.25 -5.07 118.68 111.83 2diq s LEU 91 Ca -0.05 0.98 -0.14 0.00 0.69 0.00 0.00 54.13 55.61 2diq s LEU 91 Cb 0.18 -2.73 0.01 0.00 -0.43 0.00 0.00 46.19 43.22 2diq s LEU 91 CO 0.65 0.15 1.11 -2.16 -0.29 0.00 0.00 176.35 175.82 2diq s PRO 92 N -0.27 2.72 -0.04 0.98 0.04 -1.26 -4.94 135.00 132.23 2diq s PRO 92 Ca 0.27 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.37 2diq s PRO 92 Cb -0.17 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 2diq s PRO 92 CO 0.14 -1.31 1.76 -0.06 0.04 0.00 0.00 177.00 177.57 2diq s PHE 93 N -2.42 1.75 0.20 0.56 0.08 -1.26 -4.88 117.98 112.01 2diq s PHE 93 Ca 0.66 0.01 0.11 0.00 0.12 0.00 0.00 56.93 57.84 2diq s PHE 93 Cb -0.20 -4.02 0.29 0.00 -0.57 0.00 0.00 43.02 38.51 2diq s PHE 93 CO 0.44 -4.35 1.56 1.96 -0.10 0.00 0.00 175.22 174.73 2diq h GLN 94 N 10.05 0.00 -3.29 0.44 1.08 -1.78 -3.41 115.11 118.21 2diq h GLN 94 Ca -0.42 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.22 2diq h GLN 94 Cb 1.20 0.00 -0.40 0.00 -0.05 0.00 0.00 27.48 28.23 2diq h GLN 94 CO 0.95 0.65 -0.76 0.00 -0.95 0.00 0.00 178.83 178.71 2diq s ALA 95 N -3.40 1.18 0.13 3.87 0.00 0.64 -4.95 121.76 119.23 2diq s ALA 95 Ca -0.00 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.56 2diq s ALA 95 Cb 0.12 -1.51 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 2diq s ALA 95 CO 0.76 -1.63 0.29 0.42 0.00 0.00 0.00 175.76 175.60 2diq s ILE 96 N 1.80 5.31 0.40 0.00 1.09 -1.26 -4.28 121.20 124.27 2diq s ILE 96 Ca 0.09 -0.50 -0.24 0.00 -1.10 0.00 0.00 60.65 58.90 2diq s ILE 96 Cb -0.17 -3.70 -0.12 0.00 -1.06 0.00 0.00 42.46 37.41 2diq s ILE 96 CO -0.28 -0.03 0.79 -0.62 -0.10 0.00 0.00 174.94 174.70 2diq n GLU 97 N -0.29 0.95 -4.27 2.79 1.02 -1.26 -5.00 120.64 114.58 2diq n GLU 97 Ca -0.06 0.34 -0.16 0.00 -0.02 0.00 0.00 57.16 57.27 2diq n GLU 97 Cb 0.53 -1.75 -0.10 0.00 -0.02 0.00 0.00 31.44 30.09 2diq n GLU 97 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2diq n SER 99 N -0.14 -0.87 -3.65 0.00 7.64 -1.26 -4.97 113.62 110.37 2diq n SER 99 Ca -0.10 0.88 -0.05 0.00 1.01 0.00 0.00 58.87 60.61 2diq n SER 99 Cb 0.60 -0.74 -0.07 0.00 -1.01 0.00 0.00 64.21 63.00 2diq n SER 99 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2diq s LEU 100 N 2.09 -0.89 0.03 -3.43 0.20 -1.26 -5.13 118.68 110.30 2diq s LEU 100 Ca 0.52 1.37 -0.36 0.00 0.69 0.00 0.00 54.13 56.35 2diq s LEU 100 Cb -0.75 2.02 -0.15 0.00 -0.43 0.00 0.00 46.19 46.88 2diq s LEU 100 CO 0.44 -0.22 1.57 0.00 -0.29 0.00 0.00 176.35 177.84 2diq n ALA 101 N 5.06 0.23 -3.12 5.97 0.00 -1.26 -4.97 120.51 122.42 2diq n ALA 101 Ca -0.14 0.44 -0.13 0.00 0.00 0.00 0.00 53.44 53.61 2diq n ALA 101 Cb 0.52 -2.26 -0.14 0.00 0.00 0.00 0.00 19.45 17.58 2diq n ALA 101 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2diq s ARG 102 N 1.67 0.09 0.28 0.00 1.70 -1.26 -5.16 118.95 116.26 2diq s ARG 102 Ca 0.86 0.16 -0.00 0.00 -0.47 0.00 0.00 55.73 56.28 2diq s ARG 102 Cb -0.84 -0.00 -0.02 0.00 -0.57 0.00 0.00 34.95 33.52 2diq s ARG 102 CO 0.47 -0.04 0.30 0.96 -1.08 0.00 0.00 175.30 175.91 2diq s ILE 103 N 0.27 0.00 0.02 4.99 -5.25 -1.26 -5.18 121.20 114.78 2diq s ILE 103 Ca -0.02 -1.83 -0.28 0.00 -0.99 0.00 0.00 60.65 57.53 2diq s ILE 103 Cb -0.03 -2.50 0.10 0.00 2.95 0.00 0.00 42.46 42.98 2diq s ILE 103 CO -0.01 0.00 1.24 0.00 -1.79 0.00 0.00 174.94 174.39 2diq s ALA 104 N -3.67 -2.27 0.54 2.27 0.00 -1.26 -5.18 121.76 112.20 2diq s ALA 104 Ca 0.36 0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.53 2diq s ALA 104 Cb 0.03 0.74 0.06 0.00 0.00 0.00 0.00 23.12 23.95 2diq s ALA 104 CO 0.18 -1.11 0.75 -1.54 0.00 0.00 0.00 175.76 174.04 2diq s SER 105 N -3.52 5.19 0.00 0.00 1.04 -1.26 -5.09 113.70 110.05 2diq s SER 105 Ca 0.24 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2diq s SER 105 Cb 0.01 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.98 2diq s SER 105 CO -0.01 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.61 2diq n GLY 106 N -2.21 1.12 3.58 7.32 0.00 -1.26 -4.98 105.19 108.76 2diq n GLY 106 Ca 0.13 -0.10 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 2diq n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2diq s PRO 107 N 0.63 2.49 -1.85 1.61 0.04 -1.26 -4.17 135.00 132.50 2diq s PRO 107 Ca 0.00 -1.19 -0.22 0.00 0.04 0.00 0.00 61.00 59.63 2diq s PRO 107 Cb 0.00 -5.25 0.22 0.00 0.04 0.00 0.00 34.50 29.51 2diq s PRO 107 CO 0.00 -4.00 0.61 0.43 0.04 0.00 0.00 177.00 174.07 2diq n SER 108 N 14.40 -1.95 -4.61 6.66 7.64 -1.26 -4.83 113.62 129.67 2diq n SER 108 Ca 0.45 -1.21 -0.43 0.00 1.01 0.00 0.00 58.87 58.69 2diq n SER 108 Cb 0.47 -1.79 -0.03 0.00 -1.01 0.00 0.00 64.21 61.85 2diq n SER 108 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2diq s SER 109 N -3.31 6.73 0.00 6.43 0.15 -1.26 -5.21 113.70 117.24 2diq s SER 109 Ca 0.79 0.66 0.00 0.00 0.70 0.00 0.00 55.95 58.10 2diq s SER 109 Cb -0.45 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.34 2diq s SER 109 CO 1.01 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 175.05